SCHEMBL15428602

SCHEMBL15428602

Cc1cc(C(N)=O)n(-c2ccccc2Br)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
F10 P00742 7/20 0.42
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NTRK1 P04629 1/20 0.38
WNT3A P56704 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15428676 0.85 ALDH1A1 (0.48) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL15428747 0.84 ALDH1A1 (0.41) ALDH1A1HPGDF10TSHRLMNA
SCHEMBL15428770 0.82 PDE4B (0.44) ALDH1A1HPGDF10TSHRLMNA
SCHEMBL15428588 0.82 ALDH1A1 (0.43) ALDH1A1HPGDF10TSHRLMNA
SCHEMBL15428744 0.82 P2RY1 (0.46) ALDH1A1HPGDF10TSHRLMNA
SCHEMBL15428768 0.80 MAPK14 (0.44) ALDH1A1HPGDTSHRKMT2AMEN1
SCHEMBL15428711 0.80 KMT2A (0.41) ALDH1A1HPGDF10TSHRKMT2A
SCHEMBL15428732 0.80 ALDH1A1 (0.41) ALDH1A1HPGDF10TSHRLMNA
SCHEMBL15428778 0.80 ALDH1A1 (0.41) ALDH1A1HPGDF10TSHRLMNA
SCHEMBL15428713 0.79 KDM4E (0.63) ALDH1A1HPGDF10TSHRLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885TYK2 18/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885TYK2 18/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.